2-methoxy-1,3,5-trioxane

C4H8O4 — CID 174269778

IUPAC2-methoxy-1,3,5-trioxane
SMILESCOC1OCOCO1
InChIInChI=1S/C4H8O4/c1-5-4-7-2-6-3-8-4/h4H,2-3H2,1H3
InChIKeyAMMSWSFZNLUSJA-UHFFFAOYSA-N
MW120.10 g/mol
LogP-0.11
Rot. Bonds1

About 2-methoxy-1,3,5-trioxane

2-methoxy-1,3,5-trioxane (PubChem CID 174269778) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 2-methoxy-1,3,5-trioxane.

Molecular Properties

Compound Name2-methoxy-1,3,5-trioxane
PubChem CID174269778
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name2-methoxy-1,3,5-trioxane
SMILESCOC1OCOCO1
InChIInChI=1S/C4H8O4/c1-5-4-7-2-6-3-8-4/h4H,2-3H2,1H3
InChIKeyAMMSWSFZNLUSJA-UHFFFAOYSA-N
XLogP-0.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3,5-trioxane?
The IUPAC name of 2-methoxy-1,3,5-trioxane (CID 174269778) is 2-methoxy-1,3,5-trioxane.
What is the SMILES notation for 2-methoxy-1,3,5-trioxane?
The canonical SMILES for 2-methoxy-1,3,5-trioxane is COC1OCOCO1.
What is the InChIKey of 2-methoxy-1,3,5-trioxane?
The InChIKey is AMMSWSFZNLUSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c1-5-4-7-2-6-3-8-4/h4H,2-3H2,1H3.
What are the key properties of 2-methoxy-1,3,5-trioxane?
2-methoxy-1,3,5-trioxane has a molecular weight of 120.10 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3,5-trioxane is sourced from PubChem (CID 174269778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).